| SpectraBase Compound ID | KS1rxz2b8lg |
|---|---|
| InChI | InChI=1S/C18H17ClO4/c1-2-3-11-22-17(20)15-9-4-5-10-16(15)18(21)23-14-8-6-7-13(19)12-14/h4-10,12H,2-3,11H2,1H3 |
| InChIKey | VONBLKYDFQEZRQ-UHFFFAOYSA-N |
| Mol Weight | 332.78 g/mol |
| Molecular Formula | C18H17ClO4 |
| Exact Mass | 332.081537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 18f6vj3nX75 |
|---|---|
| Name | Phthalic acid, 3-chlorophenyl butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.081536723 u |
| Formula | C18H17ClO4 |
| InChI | InChI=1S/C18H17ClO4/c1-2-3-11-22-17(20)15-9-4-5-10-16(15)18(21)23-14-8-6-7-13(19)12-14/h4-10,12H,2-3,11H2,1H3 |
| InChIKey | VONBLKYDFQEZRQ-UHFFFAOYSA-N |
| Molecular Weight | 332.783 g/mol |
| SMILES | C1(=CC=CC=C1C(=O)OC1=CC=CC(=C1)Cl)C(=O)OCCCC |